SCHEMBL4454245

SCHEMBL4454245

CNC(=O)C(NC(=O)c1ccc(C)cc1C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.54
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR2 P30518 1/20 0.45
GPR27 Q9NS67 1/20 0.45
S1PR3 Q99500 3/20 0.45
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP14 P50281 2/20 0.43
S1PR1 P21453 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14024226 0.87 MEN1 (0.54) TACR3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4444765 0.76 S1PR3 (0.56) TACR3SMN1; SMN2S1PR3MMP1MMP2
SCHEMBL4454280 0.76 TACR3 (0.49) TACR3S1PR3MMP1MMP2MMP3
SCHEMBL4448302 0.75 PSMB5 (0.65) TACR3KMT2ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL328219 0.74 SMN1; SMN2 (0.56) KMT2ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL4443073 0.74 ALDH1A1 (0.56) TACR3KMT2AS1PR3
SCHEMBL14024225 0.74 TACR3 (0.49) TACR3KMT2AS1PR3POLB
SCHEMBL4443040 0.73 S1PR3 (0.53) TACR3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4450456 0.73 NPC1 (0.64) TACR3NPC1RAB9AS1PR3
SCHEMBL4147334 0.73 GPR27 (0.72) KMT2ANPC1RAB9ASMN1; SMN2AVPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I TACR3 556/4885KMT2A 3483/4885NPC1 2098/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.